| CAS Number | 1250608-12-8 |
| Catalog Number | AG01C289 |
| Chemical Name | 1-(4-bromophenyl)-3,3-dimethylbutan-1-ol |
| IUPAC Name | 1-(4-bromophenyl)-3,3-dimethylbutan-1-ol |
| InChI | InChI=1S/C12H17BrO/c1-12(2,3)8-11(14)9-4-6-10(13)7-5-9/h4-7,11,14H,8H2,1-3H3 |
| InChI Key | VMEIUKZONFDIJY-UHFFFAOYSA-N |
| MDL Number | MFCD12786805 |
| Molecular Formula | C12H17BrO |
| Molecular Weight | 257.1668 |
| SMILES | CC(CC(C1=CC=C(Br)C=C1)O)(C)C |
| Synonyms | 1-(4-bromophenyl)-3,3-dimethylbutan-1-ol,
1250608-12-8,
AKOS010334560,
Z2284400198,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.171g/mol |
| Monoisotopic Mass | 256.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
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